N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide

C20H18FN3O3 — CID 4214944

IUPACN-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12
InChIInChI=1S/C20H18FN3O3/c1-2-23(18-9-5-7-14-6-3-4-8-16(14)18)20(25)13-22-15-10-11-17(21)19(12-15)24(26)27/h3-12,22H,2,13H2,1H3
InChIKeyQDOSORGUVTUKOC-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.35
Rot. Bonds6

About N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide

N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide (PubChem CID 4214944) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide
PubChem CID4214944
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12
InChIInChI=1S/C20H18FN3O3/c1-2-23(18-9-5-7-14-6-3-4-8-16(14)18)20(25)13-22-15-10-11-17(21)19(12-15)24(26)27/h3-12,22H,2,13H2,1H3
InChIKeyQDOSORGUVTUKOC-UHFFFAOYSA-N
XLogP4.35
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 2110538
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454568
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
CID 114133940
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2401888
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224
2,6-difluoro-4-[(4-fluoro-3-nitroanilino)methyl]phenol
CID 79882745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide (CID 4214944) is N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide is CCN(C(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is QDOSORGUVTUKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-23(18-9-5-7-14-6-3-4-8-16(14)18)20(25)13-22-15-10-11-17(21)19(12-15)24(26)27/h3-12,22H,2,13H2,1H3.
What are the key properties of N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide?
N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 367.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4214944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).